(5Z)-1-(3-methylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-1-(3-methylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-(m-tolyl)-5-[(5-nitro-2-furyl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-1-(3-methylphenyl)-5-[(5-nitro-2-furanyl)methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-1-(3-methylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-6-keto-1-(m-tolyl)-5-[(5-nitro-2-furyl)methylene]-2-thioxo-pyrimidin-4-olate Formula: C16H10N3O5S- MolecularWeight: 356.3327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=NC2=S)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC=C(O3)[N+](=O)[O-])/C(=NC2=S)[O-]

InChI

InChI=1S/C16H11N3O5S/c1-9-3-2-4-10(7-9)18-15(21)12(14(20)17-16(18)25)8-11-5-6-13(24-11)19(22)23/h2-8H,1H3,(H,17,20,25)/p-1/b12-8-